| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2006 | 30 | No |
Popular Name: tomatidine tomatidine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.92 | -2.67 | -33.8 | 3 | 3 | 1 | 46 | 416.67 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP-1-E | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 583 | 0.29 | Binding ≤ 10μM |
| SGMR1-3-E | Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic | Eukaryotes | 81 | 0.33 | Binding ≤ 10μM |
| ERG2-2-F | C-8 Sterol Isomerase (cluster #2 Of 2), Fungal | Fungi | 387 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 583 | 0.29 | Binding ≤ 1μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 387 | 0.30 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 81 | 0.33 | Binding ≤ 1μM |
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 583 | 0.29 | Binding ≤ 10μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 387 | 0.30 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 81 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cholesterol biosynthesis |
